[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H13ClFN3O3 MolecularWeight: 349.744123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCC#C)Cl)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCC#C)Cl)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H13ClFN3O3/c1-3-8-19-13(22)9-24-16(23)14-10(2)20-21(15(14)17)12-6-4-11(18)5-7-12/h1,4-7H,8-9H2,2H3,(H,19,22)